SCHEMBL6976492

SCHEMBL6976492

N=C1C[C@H](C(F)(F)F)[C@@H](CCNCc2cccs2)N1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAN1B1 Q9UKM7 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 5/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 3/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6967701 0.83 KMT2A (0.41) MAN1B1MAOBALDH1A1KMT2ACYP2C19
SCHEMBL6974305 0.80 MEN1 (0.41) KMT2AMEN1MAPTTDP1
Hydrochloric Acid SCHEMBL1678642 0.67 HPGD (0.59) MAOBALDH1A1KMT2ACYP2C19SMN1; SMN2
SCHEMBL3159042 0.64 LMNA (0.68) MAOBALDH1A1KMT2ACYP2C19SMN1; SMN2
SCHEMBL10962630 0.63 MAOB (0.59) MAOBALDH1A1KMT2ACYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL6122085 0.62 KMT2A (0.69) MAOBALDH1A1KMT2ACYP2C19SMN1; SMN2
SCHEMBL4988748 0.62 MAOB (0.57) MAOBALDH1A1KMT2ACYP2C19SMN1; SMN2
SCHEMBL4517925 0.62 MAOB (0.77) MAOBALDH1A1KMT2ACYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL6127514 0.62 MAOB (0.72) MAOBALDH1A1KMT2ACYP2C19SMN1; SMN2
SCHEMBL11922708 0.62 KMT2A (0.59) MAOBALDH1A1KMT2ACYP2C19SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed